2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-(phenylsulfonylamino)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-(phenylsulfonylamino)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[5-(benzenesulfonamido)-2-[(6-carbamimidoyl-2-naphthyl)oxy]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[5-(benzenesulfonamido)-2-[(6-carbamimidoyl-2-naphthalenyl)oxy]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[5-(benzenesulfonamido)-2-(6-carbamimidoylnaphthalen-2-yl)oxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-(benzenesulfonamido)phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C35H32N4O6S MolecularWeight: 636.71678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C35H32N4O6S/c1-21(2)20-38-34(40)25-11-14-29(31(18-25)35(41)42)30-19-26(39-46(43,44)28-6-4-3-5-7-28)12-15-32(30)45-27-13-10-22-16-24(33(36)37)9-8-23(22)17-27/h3-19,21,39H,20H2,1-2H3,(H3,36,37)(H,38,40)(H,41,42)